Binding information for 2v12_ligand_3_452.mol2(FDBF07618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v12_ligand_3_452.mol2 | 2v12 | 0.803922 | -6.58 | c1(ccccc1C(=O)NC)O | 11 |
Structure and binding mode of 2v12_ligand_3_452.mol2(FDBF07618)
Important binding residues for 2v12_ligand_3_452.mol2(FDBF07618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v12 | GLN19 | -0.90 | 0.02 | -0.88 | 0.32 | -0.55 |
| 2v12 | PRO118 | -0.78 | -0.84 | -1.62 | 0.98 | -0.63 |
| 2v12 | PHE119 | -0.61 | -0.08 | -0.69 | 0.20 | -0.49 |
| 2v12 | LEU121 | -0.49 | -0.13 | -0.62 | 0.27 | -0.35 |
| 2v12 | ALA122 | -0.56 | 0.09 | -0.47 | -0.10 | -0.57 |
| 2v12 | PHE124 | -0.83 | -0.28 | -1.11 | 0.45 | -0.66 |
